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Rosetta
3.8
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#include <Extender.hh>
Public Member Functions | |
Extender (core::sequence::SequenceAlignmentCOP alignment, int num_residues) | |
void | extend_unaligned (core::pose::Pose *pose) |
protocols::loops::LoopsCOP | unaligned () const |
Returns the unaligned regions in increasing order of start position. More... | |
protocols::loops::LoopsCOP | aligned () const |
Returns the aligned regions in increasing order of start position. More... | |
const utility::vector1< int > & | cutpoints () const |
Returns a set of suggested cutpoints for star fold tree construction based on information gathered during extend_unaligned(). More... | |
void | set_secondary_structure (core::fragment::SecondaryStructureCOP pred_ss) |
Updates predicted secondary structure, improving cutpoint selection. More... | |
Protected Member Functions | |
int | choose_cutpoint (int start, int stop) const |
Private Attributes | |
core::sequence::SequenceAlignmentCOP | alignment_ |
protocols::loops::LoopsOP | unaligned_ |
protocols::loops::LoopsOP | aligned_ |
core::fragment::SecondaryStructureCOP | pred_ss_ |
utility::vector1< int > | cutpoints_ |
protocols::star::Extender::Extender | ( | core::sequence::SequenceAlignmentCOP | alignment, |
int | num_residues | ||
) |
References aligned_, protocols::comparative_modeling::pick_loops_unaligned(), and unaligned_.
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Returns the aligned regions in increasing order of start position.
References aligned_.
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protected |
Selects a cutpoint on the closed interval [start, stop] using weighted reservoir sampling. Each residue's weight is proportional to its likelihood of being a loop.
References pred_ss_, and protocols::loops::stop.
Referenced by extend_unaligned().
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inline |
Returns a set of suggested cutpoints for star fold tree construction based on information gathered during extend_unaligned().
References cutpoints_.
void protocols::star::Extender::extend_unaligned | ( | core::pose::Pose * | pose | ) |
Sets unaligned residues' torsion angles to their extended values and idealizes bond lengths and angles. The placement of unaligned residues depends on the number of residues separating the adjacent aligned regions.
Given aligned regions a_1 and a_2 with (a_1.start < a_2.start):
If (a_2.start - a_1.stop) <= -abinitio:star:short_loop_len, the unaligned residues are grown off a_1.stop. Otherwise, a stochastically selected portion of the residues are grown off a_1.stop and the remainder grown off a_2.start. In both cases, the method is responsible for noting the interior cutpoints it selected.
References core::kinematics::FoldTree::add_edge(), aligned_, core::scoring::calpha_superimpose_pose(), choose_cutpoint(), core::pose::Pose::conformation(), protocols::star::copy_residues(), cutpoints_, core::pose::Pose::fold_tree(), protocols::star::generate_extended_pose(), core::conformation::idealize_position(), core::kinematics::Edge::PEPTIDE, core::pose::Pose::sequence(), core::pose::Pose::size(), protocols::loops::Loop::start(), and protocols::loops::Loop::stop().
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inline |
Updates predicted secondary structure, improving cutpoint selection.
References pred_ss_.
Referenced by protocols::star::StarAbinitio::apply().
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inline |
Returns the unaligned regions in increasing order of start position.
References unaligned_.
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private |
Referenced by aligned(), extend_unaligned(), and Extender().
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private |
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private |
Referenced by cutpoints(), and extend_unaligned().
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private |
Referenced by choose_cutpoint(), and set_secondary_structure().
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private |
Referenced by Extender(), and unaligned().